[2-(4-undecylpyrimidin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(4-undecylpyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-undecylpyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-undecylpyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-undecylpyrimidin-2-yl)phenyl] ester Formula: C30H46N2O2 MolecularWeight: 466.69844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C30H46N2O2/c1-4-6-7-8-9-10-11-12-13-19-26-23-24-31-30(32-26)27-20-15-16-21-28(27)34-29(33)22-17-14-18-25(3)5-2/h15-16,20-21,23-25H,4-14,17-19,22H2,1-3H3